Found 196 results

Search term: MF = 'C_{21}H_{21}ClN_{4}S'
ChemSpider 2D Image | (2E)-2-{[1-(3-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2-ethylphenyl)hydrazinecarbothioamide | C21H21ClN4S

(2E)-2-{[1-(3-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2-ethylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID23016973

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-{[1-(3-Chlorbenzyl)-1H-pyrrol-2-yl]methylen}-N-(2-ethylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-2-{[1-(3-Chlorobenzyl)-1H-pyrrol-2-yl]methylene}-N-(2-ethylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-2-{[1-(3-Chlorobenzyl)-1H-pyrrol-2-yl]méthylène}-N-(2-éthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl]methylene]-N-(2-ethylphenyl)-, (2E)- [ACD/Index Name]
1-(3-chlorobenzyl)-1H-pyrrole-2-carbaldehyde N-(2-ethylphenyl)thiosemicarbazone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 534.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.3±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 20068.20
ACD/KOC (pH 5.5): 41813.58
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 20020.97
ACD/KOC (pH 7.4): 41715.18
Polar Surface Area: 73 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


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